Reaction Details |
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Target | Spike glycoprotein |
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Ligand | BDBM50582095 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2153278 (CHEMBL5037825) |
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Kd | >25000±n/a nM |
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Citation | Di Sarno, V; Lauro, G; Musella, S; Ciaglia, T; Vestuto, V; Sala, M; Scala, MC; Smaldone, G; Di Matteo, F; Novi, S; Tecce, MF; Moltedo, O; Bifulco, G; Campiglia, P; Gomez-Monterrey, IM; Snoeck, R; Andrei, G; Ostacolo, C; Bertamino, A Identification of a dual acting SARS-CoV-2 proteases inhibitor through in silico design and step-by-step biological characterization. Eur J Med Chem226:0 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Spike glycoprotein |
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Name: | Spike glycoprotein |
Synonyms: | E2 | Peplomer protein | S | S glycoprotein | SPIKE_SARS2 |
Type: | Protein |
Mol. Mass.: | 141178.35 |
Organism: | 2019-nCoV |
Description: | P0DTC2 |
Residue: | 1273 |
Sequence: | MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFS
NVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIV
NNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLE
GKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQT
LLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETK
CTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISN
CVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIAD
YNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPC
NGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVN
FNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITP
GTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSY
ECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTI
SVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQE
VFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDC
LGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAM
QMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALN
TLVKQLSSNFGAISSVLNDILSRLDKVEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRA
SANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPA
ICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDP
LQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDL
QELGKYEQYIKWPWYIWLGFIAGLIAIVMVTIMLCCMTSCCSCLKGCCSCGSCCKFDEDD
SEPVLKGVKLHYT
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BDBM50582095 |
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n/a |
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Name | BDBM50582095 |
Synonyms: | CHEMBL5093511 |
Type | Small organic molecule |
Emp. Form. | C33H36N4O2 |
Mol. Mass. | 520.6645 |
SMILES | CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC#C)NCc1ccc(cc1)-c1ccccc1 |r| |
Structure |
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